| SpectraBase Compound ID | DlrxSv4LCfq |
|---|---|
| InChI | InChI=1S/C12H15N5O4/c1-5-6(3-18)21-11(8(5)19)17-4-14-7-9(17)15-12(13)16-10(7)20-2/h4,6,8,11,18-19H,1,3H2,2H3,(H2,13,15,16)/t6-,8-,11-/m1/s1 |
| InChIKey | RSDQLXLQEWNGIU-VTCKRJQYSA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C12H15N5O4 |
| Exact Mass | 293.112404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhvhmJWOglG |
|---|---|
| Name | (2R,5S)-2-(2-Amino-6-methoxy-9-purinyl)-5-(hydroxymethyl)-4-methylene-3-oxolanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.112403979 u |
| Formula | C12H15N5O4 |
| InChI | InChI=1S/C12H15N5O4/c1-5-6(3-18)21-11(8(5)19)17-4-14-7-9(17)15-12(13)16-10(7)20-2/h4,6,8,11,18-19H,1,3H2,2H3,(H2,13,15,16)/t6-,8?,11-/m1/s1 |
| InChIKey | RSDQLXLQEWNGIU-VTCKRJQYSA-N |
| Molecular Weight | 293.283 g/mol |
| SMILES | C=12N(C=NC2=C(OC)N=C(N1)N)[C@@]1(O[C@](CO)(C([C@]1(O)[H])=C)[H])[H] |